› 5j9f

X-ray diffraction
2.1Å resolution

Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183)

Released:
DOI: 10.2210/pdb5j9f/pdb
PDB entry 5j9f coloured by chain, front view.
PDB entry 5j9f coloured by chain, side view.
PDB entry 5j9f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor α and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
Golani LK, Wallace-Povirk A, Deis SM, Wong J, Ke J, Gu X, Raghavan S, Wilson MR, Li X, Polin L, de Waal PW, White K, Kushner J, O'Connor C, Hou Z, Xu HE, Melcher K, Dann CE, Matherly LH, Gangjee A
J Med Chem 59 7856-76 (2016)
PMID: 27458733

Function and Biology Details

Reactions catalysed: 
10-formyltetrahydrofolate + N(1)-(5-phospho-D-ribosyl)glycinamide = tetrahydrofolate + N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide
ATP + 2-(formamido)-N(1)-(5-phospho-D-ribosyl)acetamidine = ADP + phosphate + 5-amino-1-(5-phospho-D-ribosyl)imidazole
ATP + 5-phospho-D-ribosylamine + glycine = ADP + phosphate + N(1)-(5-phospho-D-ribosyl)glycinamide
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149522 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Trifunctional purine biosynthetic protein adenosine-3 Chain: A
Molecule details ›
Chain: A
Length: 210 amino acids
Theoretical weight: 22.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22102 (Residues: 808-1010; Coverage: 20%)
Gene names: GART, PGFT, PRGS
Sequence domains: Formyl transferase
Structure domains: Formyl transferase, N-terminal domain

Ligands and Environments

2 bound ligands:
Ligand GAR 1 x GAR
Ligand 83A 1 x 83A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P3221
Unit cell:
a: 75.386Å b: 75.386Å c: 101.293Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.174 0.213
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Progress in tumor-associated macrophage (TAM)-targeted therapeutics.
Ngambenjawong et al. (2017)
2 more

4 mentions without citation

Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor α and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
Golani et al. (2016)
3 more